SCHEMBL9528982

SCHEMBL9528982

Cn1ncc(NCCCN2CCN(c3ccccn3)CC2)cc1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.52
SLC6A4 P31645 2/20 0.50
HTR1A P08908 7/20 0.49
HTR2A P28223 6/20 0.49
DRD3 P35462 6/20 0.49
DRD2 P14416 5/20 0.49
HTR7 P34969 4/20 0.49
HTR2C P28335 3/20 0.49
KCNH2 Q12809 2/20 0.49
DRD1 P21728 3/20 0.47
ADRA2C P18825 2/20 0.47
DRD5 P21918 2/20 0.47
HRH1 P35367 2/20 0.47
DRD4 P21917 2/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9529080 0.94 POLB (0.48) POLBHTR1AHTR2ADRD3DRD2
SCHEMBL9529414 0.80 ALOX15 (0.50) HTR1AHTR2ADRD3DRD2HTR7
SCHEMBL9526962 0.80 KAT2B (0.57) POLBSLC6A4HTR1AHTR2ADRD3
SCHEMBL9528291 0.80 HTR1A (0.63) SLC6A4HTR1AHTR2ADRD3DRD2
SCHEMBL9528237 0.79 POLB (0.51) POLBSLC6A4HTR1AHTR2ADRD3
SCHEMBL9527520 0.78 HTR7 (0.55) HTR1ADRD2HTR7KCNH2SIGMAR1
SCHEMBL9531342 0.77 HTR1A (0.60) SLC6A4HTR1AHTR2ADRD3DRD2
SCHEMBL9527638 0.76 HTR1A (0.61) SLC6A4HTR1AHTR2ADRD3DRD2
SCHEMBL9527885 0.75 ADRA1B (0.49) HTR1ADRD3DRD2HTR7
SCHEMBL5926121 0.75 HTR1A (0.46) POLBSLC6A4HTR1AHTR2ADRD3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0372305-B1 PIPERAZINYLALKYL-3(2H)-PYRIDAZINONES, METHOD FOR THEIR PREPARATION AND THEIR USE AS ANTIHYPERTENSIVE AGENTS Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1993-08-04 EP disclosed
US-5034391-A Piperazinylalkyl-3(2H)-pyridazinones and the use thereof as agents lowering blood pressure CL PHARMA AKTIENGESELLSCHAFT (AT) 1991-07-23 US disclosed
EP-0372305-A1 Piperazinylalkyl-3(2H)-pyridazinones, method for their preparation and their use as antihypertensive agents Hafslund Nycomed Pharma Aktiengesellschaft (AT) 1990-06-13 EP disclosed